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Bis(melaminium) DL-malate tetrahydrate
Jan Janczak1, Genivaldo Julio Perpétuo
1Institute of Low Temperature and Structure Research, Polish Academy of Sciences, PO Box 1410, 50-950 Wrocław, Poland. janczak@int.pan.wroc.pl
Summary
This study details the crystal structure of a melaminium salt, revealing how melaminium residues and DL-malate anions form a 3D polymeric structure stabilized by hydrogen bonds.
Area of Science:
- Crystallography
- Materials Science
- Supramolecular Chemistry
Background:
- Melaminium salts are compounds with potential applications in various chemical fields.
- Understanding the crystal structure of these salts is crucial for predicting their properties and behavior.
Purpose of the Study:
- To elucidate the detailed crystal structure of bis(2,4,6-triamino-1,3,5-triazin-1-ium) DL-malate tetrahydrate.
- To investigate the hydrogen bonding interactions and the resulting supramolecular architecture.
Main Methods:
- Single crystal X-ray diffraction analysis was employed to determine the crystal structure.
- Comparison of the malate ion conformation with ab initio molecular-orbital calculations.
Main Results:
- The crystal structure comprises singly protonated melaminium residues, DL-malate dianions, and water molecules.
- Melaminium residues form stacked chains linked by N-H.N hydrogen bonds.
- DL-malate dianions and water molecules form hydrogen-bonded layers parallel to the (100) plane.
- A three-dimensional polymeric structure is formed through interactions between melaminium chains and DL-malate/water layers, stabilized by N-H.O hydrogen bonds.
Conclusions:
- The study reveals a complex 3D polymeric network in the melaminium DL-malate tetrahydrate crystal structure.
- Hydrogen bonding plays a critical role in stabilizing the observed supramolecular architecture.
- The findings contribute to the understanding of crystal engineering and the design of novel materials.